ChemDiv1_018377
TL;DR: ChemDiv1_018377 (CAS 442646-96-0) is a chemical compound with molecular formula C24H27BrN2O3 and molecular weight 470.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_018377, A2746/0116682, ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenyl-1H-indole-3-carboxylate, ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenylindole-3-carboxylate, ethyl 6-bromo-5-hydroxy-2-((2-methylpiperidin-1-yl)methyl)-1-phenyl-1H-indole-3-carboxylate
| Molecular Formula | C24H27BrN2O3 |
|---|---|
| Molecular Weight | 470.12 g/mol |
| LogP | 5.6497 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.1205 |
| Heavy Atoms | 30 |
| Complexity | 1061.4934 |
Chemical Identifiers
| CAS Number | 442646-96-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCCCC4C |
Product Overview
ChemDiv1_018377 (CAS 442646-96-0), with molecular formula C24H27BrN2O3 and molecular weight 470.12 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-1-phenylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_018377
Property Insights of ChemDiv1_018377
The XLogP value of 5.6497 indicates that ChemDiv1_018377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, ChemDiv1_018377 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_018377 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018377?
The CAS number of ChemDiv1_018377 is 442646-96-0.
What is the molecular formula of ChemDiv1_018377?
The molecular formula of ChemDiv1_018377 is C24H27BrN2O3.
What is the molecular weight of ChemDiv1_018377?
The molecular weight of ChemDiv1_018377 is 470.12 g/mol.
Where can I buy ChemDiv1_018377?
You can request a quote for ChemDiv1_018377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018377?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.